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[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(5-bromo-3-pyridinyl)-6-[[4-(1,1-dimethylethyl)phenoxy]methyl]-
SpectraBase Compound ID 8ZwFJEf5oUn
InChI InChI=1S/C19H18BrN5OS/c1-19(2,3)13-4-6-15(7-5-13)26-11-16-24-25-17(22-23-18(25)27-16)12-8-14(20)10-21-9-12/h4-10H,11H2,1-3H3
InChIKey CTCLJTOMSCHYLY-UHFFFAOYSA-N
Mol Weight 444.35 g/mol
Molecular Formula C19H18BrN5OS
Exact Mass 443.041544 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GU1MT5WKJxV
Name [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(5-bromo-3-pyridinyl)-6-[[4-(1,1-dimethylethyl)phenoxy]methyl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H18BrN5OS/c1-19(2,3)13-4-6-15(7-5-13)26-11-16-24-25-17(22-23-18(25)27-16)12-8-14(20)10-21-9-12/h4-10H,11H2,1-3H3
InChIKey CTCLJTOMSCHYLY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9919
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F36471; Labnumber: BAL4-7767